Influence of topology on rheological properties of polymer ring melts.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2025-03-07 DOI:10.1063/5.0250414
Ranajay Datta, Peter Virnau
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Abstract

We investigate with numerical simulations the influence of topology and stiffness on macroscopic rheological properties of polymer melts consisting of unknotted, knotted, or concatenated rings. While melts of flexible, knotted oligomer rings tend to be significantly more viscous than their unknotted counterparts, differences vanish in a low shear rate scenario with increasing degree of polymerization. Melts of catenanes consisting of two rings on the other hand are consistently more viscous than their unconcatenated counterparts. These topology-based differences in rheological properties can be exploited to segregate mixtures of otherwise chemically similar polymers, e.g., in microfluidic devices, which is demonstrated by exposing a blend of flexible knotted and unknotted oligomer rings to channel flow.

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拓扑结构对聚合物环形熔体流变性能的影响。
我们通过数值模拟研究了拓扑结构和刚度对聚合物熔体宏观流变性能的影响,这些聚合物熔体由非结环、结环和连接环组成。虽然柔性的、有结的低聚物环的熔体往往比无结的低聚物环具有更大的粘性,但随着聚合程度的增加,这种差异在低剪切速率情况下消失。另一方面,由两个环组成的链烷熔体始终比未连接的链烷熔体更粘稠。这些基于拓扑的流变特性差异可以被用来分离化学性质相似的聚合物混合物,例如,在微流体装置中,通过将柔性结和非结低聚物环的混合物暴露在通道流动中来证明。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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